(Q105256580)

English

SNNPQJQGPWLOBP-CPELGWMUSA-N

chemical compound

In more languages

Statements

type of chemical entity

0 references

[5-[2-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-6-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

976.321238052 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₆H₅₆O₂₃

0 references

canonical SMILES

O=C(OCC1OC(OCCC2=CC=C(O)C(O)=C2)C(OC3OCC(O)(COC(=O)C=CC4=CC=C(O)C(OC)=C4)C3O)C(OC5OC(C)C(O)C(O)C5O)C1O)C=CC6=CC(OC)=C(O)C(OC)=C6

0 references

isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@@]2(O)CO[C@@H](O[C@@H]3[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@@H](COC(=O)/C=C/c4cc(OC)c(O)c(OC)c4)O[C@H]3OCCc3ccc(O)c(O)c3)[C@@H]2O)ccc1O

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Newbouldia laevis

1 reference

Newbouldiosides A-C, phenylethanoid glycosides from the stem bark of Newbouldia laevis

Identifiers

InChI=1S/C46H56O23/c1-22-35(52)38(55)39(56)43(66-22)68-40-37(54)32(19-63-33(50)12-8-25-17-30(60-3)36(53)31(18-25)61-4)67-44(62-14-13-24-5-9-26(47)28(49)15-24)41(40)69-45-42(57)46(58,21-65-45)20-64-34(51)11-7-23-6-10-27(48)29(16-23)59-2/h5-12,15-18,22,32,35,37-45,47-49,52-58H,13-14,19-21H2,1-4H3/b11-7+,12-8+/t22-,32+,35-,37+,38+,39+,40-,41+,42-,43-,44+,45-,46+/m0/s1

0 references

SNNPQJQGPWLOBP-CPELGWMUSA-N

0 references

2 references

15 September 2022

matched by identifier from

SNNPQJQGPWLOBP-CPELGWMUSA-N

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